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Dr Iain Grace

Senior Research Associate

  1. 2020
  2. Published

    Solvent-molecule interaction induced gating of charge transport through single-molecule junctions

    Tang, Z., Hou, S., Wu, Q., Tan, Z., Zheng, J., Li, R., Liu, J., Yang, Y., Sadeghi, H., Shi, J., Grace, I., Lambert, C. & Hong, W., 15/06/2020, In : Science Bulletin. 65, 11, p. 944-950 7 p.

    Research output: Contribution to journalJournal article

  3. Published

    Scale-Up of Room-Temperature Constructive Quantum Interference from Single Molecules to Self-Assembled Molecular-Electronic Films

    Wang, X., Bennett, T., Ismael, A., Wilkinson, L., Hamill, J., White, A. J. P., Grace, I., Kolosov, O., Albrecht, T., Robinson, B., Long, N. J., Cohen, L. & Lambert, C., 13/05/2020, In : Journal of the American Chemical Society. 142, 19, p. 8555-8560 6 p.

    Research output: Contribution to journalJournal article

  4. 2019
  5. Published

    Synthetic Control of Quantum Interference by Regulating Charge on a Single Atom in Heteroaromatic Molecular Junctions

    Naghibi, S., Ismael, A. K., Vezzoli, A., Al-Khaykanee, M. K., Zheng, X., Grace, I. M., Bethell, D., Higgins, S. J., Lambert, C. J. & Nichols, R. J., 17/10/2019, In : Journal of Physical Chemistry Letters. 10, 20, p. 6419-6424 6 p.

    Research output: Contribution to journalJournal article

  6. Published

    Cross-conjugation increases the conductance of: Meta-connected fluorenones

    Alanazy, A., Leary, E., Kobatake, T., Sangtarash, S., González, M. T., Jiang, H-W., Bollinger, G. R., Agräit, N., Sadeghi, H., Grace, I., Higgins, S. J., Anderson, H. L., Nichols, R. J. & Lambert, C. J., 7/08/2019, In : Nanoscale. 11, 29, p. 13720-13724 5 p.

    Research output: Contribution to journalJournal article

  7. Published

    Charge transfer complexation boosts molecular conductance through Fermi level pinning

    Wang, K., Vezzoli, A., Grace, I., McLaughlin, M., Nichols, R. J., Xu, B., Lambert, C. J. & Higgins, S. J., 28/02/2019, In : Chemical Science. 10, 8, p. 2396-2403 8 p.

    Research output: Contribution to journalJournal article

  8. Published

    Self-Assembled Molecular-Electronic Films Controlled by Room Temperature Quantum Interference

    Famili, M., Jia, C., Liu, X., Wang, P., Grace, I. M., Guo, J., Liu, Y., Feng, Z., Wang, Y., Zhao, Z., Decurtins, S., Häner, R., Huang, Y., Liu, S-X., Lambert, C. J. & Duan, X., 14/02/2019, In : Chem. 5, 2, p. 474-484 11 p.

    Research output: Contribution to journalJournal article

  9. 2018
  10. Published

    Cross-plane conductance through a graphene/molecular monolayer/Au sandwich

    Li, B., Famili, M., Pensa, E., Grace, I., Long, N. J., Lambert, C., Albrecht, T. & Cohen, L. F., 14/11/2018, In : Nanoscale. 10, 42, p. 19791-19798 8 p.

    Research output: Contribution to journalJournal article

  11. Published

    Quantum interference mediated vertical molecular tunneling transistors

    Jia, C., Famili, M., Carlotti, M., Liu, Y., Wang, P., Grace, I. M., Feng, Z., Wang, Y., Zhao, Z., Ding, M., Xu, X., Wang, C., Lee, S-J., Huang, Y., Chiechi, R. C., Lambert, C. J. & Duan, X., 12/10/2018, In : Science Advances. 4, 10, 9 p., eaat8237.

    Research output: Contribution to journalJournal article

  12. Published

    Unconventional Single-Molecule Conductance Behavior for a New Heterocyclic Anchoring Group: Pyrazolyl

    Herrer, I. L., Ismael, A. K., Milán, D. C., Vezzoli, A., Martín, S., González-Orive, A., Grace, I., Lambert, C., Serrano, J. L., Nichols, R. J. & Cea, P., 20/09/2018, In : Journal of Physical Chemistry Letters. 9, 18, p. 5364-5372 9 p.

    Research output: Contribution to journalJournal article

  13. E-pub ahead of print

    Bias-driven conductance increase with length in porphyrin tapes

    Leary, E., Limburg, B., Alanazy, A., Sangtarash, S., Grace, I., Swada, K., Esdaile, L. J., Noori, M., González, M. T., Rubio-bollinger, G., Sadeghi, H., Hodgson, A., Agraït, N., Higgins, S. J., Lambert, C. J., Anderson, H. L. & Nichols, R. J., 12/09/2018, In : Journal of the American Chemical Society.

    Research output: Contribution to journalJournal article

  14. Published

    Oscillating Seebeck coefficients in π-stacked molecular junctions

    Al-Khaykanee, M. K., Ismael, A. K., Grace, I. & Lambert, C. J., 10/07/2018, In : RSC Advances. 8, 44, p. 24711-24715 5 p.

    Research output: Contribution to journalJournal article

  15. Published

    Correction: Connectivity dependence of Fano resonances in single molecules(Physical Chemistry Chemical Physics (2017) 19 (6416–6421)

    Ismael, A. K., Grace, I. & Lambert, C. J., 15/06/2018, In : Physical Chemistry Chemical Physics. 20, 25, 1 p.

    Research output: Contribution to journalComment/debate

  16. Published

    Toward High Thermoelectric Performance of Thiophene and Ethylenedioxythiophene (EDOT) Molecular Wires

    Famili, M., Grace, I. M., Al-galiby, Q., Sadeghi, H. & Lambert, C. J., 11/04/2018, In : Advanced Functional Materials. 28, 15, 6 p., 1703135.

    Research output: Contribution to journalJournal article

  17. Published

    Gateway state-mediated, long-range tunnelling in molecular wires

    Sangtarash, S., Vezzoli, A., Sadeghi, H., Ferri, N., O'Brien, H. M., Grace, I., Bouffier, L., Higgins, S. J., Nichols, R. J. & Lambert, C. J., 14/02/2018, In : Nanoscale. 10, 6, p. 3060-3067 8 p.

    Research output: Contribution to journalJournal article

  18. Published

    Detecting Mechanochemical Atropisomerization within an STM Break Junction

    Leary, E., Roche, C., Jiang, H-W., Grace, I., Teresa Gonzalez, M., Rubio-Bollinger, G., Romero-Muniz, C., Xiong, Y., Al-Galiby, Q., Noori, M., Lebedeva, M. A., Porfyrakis, K., Agrait, N., Hodgson, A., Higgins, S. J., Lambert, C. J., Anderson, H. L. & Nichols, R. J., 17/01/2018, In : Journal of the American Chemical Society. 140, 2, p. 710-718 9 p.

    Research output: Contribution to journalJournal article

  19. 2017
  20. Published

    Side-Group-Mediated Mechanical Conductance Switching in Molecular Junctions

    Ismael, A. K., Wang, K., Vezzoli, A., Al-Khaykanee, M. K., Gallagher, H. E., Grace, I. M., Lambert, C. J., Xu, B., Nichols, R. J. & Higgins, S. J., 27/11/2017, In : Angewandte Chemie International Edition. 56, 48, p. 15378-15382 5 p.

    Research output: Contribution to journalJournal article

  21. Published

    Electrochemical control of the single molecule conductance of a conjugated bis(pyrrolo)tetrathiafulvalene based molecular switch

    O'Driscoll, L. J., Hamill, J. M., Grace, I., Nielsen, B. W., Almutib, E., Fu, Y., Hong, W., Lambert, C. J. & Jeppesen, J. O., 1/09/2017, In : Chemical Science. 8, 9, p. 6123-6130 8 p.

    Research output: Contribution to journalJournal article

  22. Published

    Suppression of Phonon Transport in Molecular Christmas Trees

    Famili, M., Grace, I., Sadeghi, H. & Lambert, C. J., 19/05/2017, In : ChemPhysChem. 18, 10, p. 1234-1241 8 p.

    Research output: Contribution to journalJournal article

  23. Published

    Connectivity dependence of Fano resonances in single molecules

    Ismael, A., Grace, I. M. & Lambert, C. J., 7/03/2017, In : Physical Chemistry Chemical Physics. 19, 9, p. 6416-6421 6 p.

    Research output: Contribution to journalJournal article

  24. Published

    Soft versus hard junction formation for alpha-terthiophene molecular wires and their charge transfer complexes

    Vezzoli, A., Grace, I. M., Brooke, C., Nichols, R. J., Lambert, C. J. & Higgins, S. J., 7/03/2017, In : Journal of Chemical Physics. 146, 9, 9 p., 092307.

    Research output: Contribution to journalJournal article

  25. Published

    Discriminating single-molecule sensing by crown-ether-based molecular junctions

    Ismael, A. K., Al-Jobory, A., Grace, I. & Lambert, C. J., 14/02/2017, In : Journal of Chemical Physics. 146, 6, 5 p., 064704.

    Research output: Contribution to journalJournal article

  26. Published

    The single-molecule electrical conductance of a rotaxane-hexayne supramolecular assembly

    Milan, D. C., Krempe, M., Ismael, A. K., Movsisyan, L. D., Franz, M., Grace, I., Brooke, R. J., Schwarzacher, W., Higgins, S. J., Anderson, H. L., Lambert, C. J., Tykwinski, R. R. & Nichols, R. J., 7/01/2017, In : Nanoscale. 9, 1, p. 355-361 7 p.

    Research output: Contribution to journalJournal article

  27. 2016
  28. Published

    Tuning the electrical conductance of metalloporphyrin supramolecular wires

    Noori, M., Aragonès, A., Di Palma, G., Darwish, N., Bailey, S. W. D., Al-Galiby, Q., Grace, I. M., Amabilino, D. B., Gonzalez-Campo, A., Díez-Pérez, I. & Lambert, C. J., 21/11/2016, In : Scientific Reports. 6, 37352, 7 p., 37352.

    Research output: Contribution to journalJournal article

  29. Published

    Charge transport through dicarboxylic-acid-terminated alkanes bound to graphene-gold nanogap electrodes

    Liu, L., Zhang, G., Tao, S., Zhao, C. Z., Almutib, E., Al-Galiby, Q., Bailey, S. W. D., Grace, I. M., Lambert, C. J., Du, J. & Yang, L., 14/08/2016, In : Nanoscale. 8, 30, p. 14507-14513 7 p.

    Research output: Contribution to journalJournal article

  30. Published

    Molecular design and control of fullerene-based bi-thermoelectric materials

    Rincón-García, L., Ismael, A., Evangeli, C., Grace, I. M., Rubio-Bollinger, G., Porfyrakis, K., Agrait, N. & Lambert, C. J., 03/2016, In : Nature Materials. 15, 3, p. 289-293 5 p.

    Research output: Contribution to journalJournal article

  31. Published

    Tuning the thermoelectric properties of metallo-porphyrins

    Al-Galiby, Q., Sadeghi, H., Algharagholy, L., Grace, I. M. & Lambert, C. J., 28/01/2016, In : Nanoscale. 2016, 4, p. 2428-2433 6 p.

    Research output: Contribution to journalJournal article

  32. 2015
  33. Published

    Gating of single molecule junction conductance by charge transfer complex formation

    Vezzoli, A., Grace, I., Brooke, C., Wang, K., Lambert, C. J., Xu, B., Nichols, R. J. & Higgins, S. J., 7/12/2015, In : Nanoscale. 7, 45, p. 18949-18955 7 p.

    Research output: Contribution to journalJournal article

  34. Published

    Increasing the thermopower of crown-ether-bridged anthraquinones

    Ismael, A. K., Grace, I. & Lambert, C. J., 7/11/2015, In : Nanoscale. 7, 41, p. 17338-17342 5 p.

    Research output: Contribution to journalJournal article

  35. Published

    Exploiting the extended π-system of perylene bisimide for label-free single-molecule sensing

    Al-Galiby, Q., Grace, I., Sadeghi, H. & Lambert, C. J., 7/03/2015, In : Journal of Materials Chemistry C. 3, 9, p. 2101-2106 6 p.

    Research output: Contribution to journalJournal article

  36. 2014
  37. Published

    GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

    Ferrer, J., Lambert, C., Garcia-Suarez, V. M., Manrique, D. Z., Visontai, D., Oroszlany, L., Rodriguez-Ferradas, R., Grace, I., Bailey, S. W. D., Gillemot, K., Sadeghi, H. & Algharagholy, L. A., 23/09/2014, In : New Journal of Physics. 16, 9, 66 p., 093029.

    Research output: Contribution to journalJournal article

  38. Published

    Extended conjugation in poly(triarylamine)s: synthesis, structure and impact on field-effect mobility

    Sprick, R. S., Hoyos, M., Wrackmeyer, M. S., Parry, A. V. S., Grace, I. M., Lambert, C., Navarro, O. & Turner, M. L., 28/08/2014, In : Journal of Materials Chemistry C. 2, 32, p. 6520-6528 9 p.

    Research output: Contribution to journalJournal article

  39. Published

    Thermoelectric performance of various benzo-difuran wires

    Peterfalvi, C. G., Grace, I., Manrique, D. Z. & Lambert, C. J., 7/05/2014, In : Journal of Chemical Physics. 140, 17, 7 p., 174711.

    Research output: Contribution to journalJournal article

  40. Published

    A Sm(II)-mediated cascade approach to Dibenzoindolo[3,2-b]carbazoles: synthesis and evaluation

    Levick, M. T., Grace, I., Dai, S-Y., Kasch, N., Muryn, C., Lambert, C., Turner, M. L. & Procter, D. J., 18/04/2014, In : Organic Letters. 16, 8, p. 2292-2295 4 p.

    Research output: Contribution to journalJournal article

  41. 2013
  42. Published

    A detailed experimental and theoretical study into the properties of C60 dumbbell junctions

    Gillemot, K., Evangeli, C., Leary, E., La Rosa, A., Gonzalez, M. T., Filippone, S., Grace, I., Rubio-Bollinger, G., Ferrer, J., Martin, N., Lambert, C. & Agrait, N., 25/11/2013, In : Small. 9, 22, p. 3812-3822 11 p.

    Research output: Contribution to journalJournal article

  43. Published

    Triarylamine polymers of bridged phenylenes by (N-heterocyclic carbene)-palladium catalysed C-N coupling

    Sprick, R. S., Hoyos, M., Morrison, J. J., Grace, I. M., Lambert, C., Navarro, O. & Turner, M. L., 2013, In : Journal of Materials Chemistry C. 1, 20, p. 3327-3336 10 p.

    Research output: Contribution to journalJournal article

  44. 2012
  45. Published

    Phase tag-assisted synthesis of Benzo[b]carbazole end-capped oligothiophenes

    Levick, M. T., Coote, S., Grace, I., Lambert, C., Turner, M. L. & Procter, D. J., 16/11/2012, In : Organic Letters. 14, 22, p. 5744-5747 4 p.

    Research output: Contribution to journalJournal article

  46. 2011
  47. Published

    Synthesis of Covalently Linked Molecular Bridges between Silicon Electrodes in CMOS-Based Arrays of Vertical Si/SiO2/Si Nanogaps

    Ashwell, G., Phillips, L. J., Robinson, B. J., Barnes, S. A., Williams, A. T., Urasinska-Wojcik, B., Lambert, C. J., Grace, I. M., Cox, T. I. & Sage, I. C., 5/09/2011, In : Angewandte Chemie International Edition. 50, 37, p. 8722-8726 5 p.

    Research output: Contribution to journalJournal article

  48. 2010
  49. Published

    Molecular Bridging of Silicon Nanogaps

    Ashwell, G., Phillips, L. J., Robinson, B. J., Urasinska-Wojcik, B., Lambert, C. J., Grace, I. M., Bryce, M. R., Jitchati, R., Tavasli, M., Cox, T. I., Sage, I. C., Tuffin, R. P. & Ray, S., 12/2010, In : ACS Nano. 4, 12, p. 7401-7406 6 p.

    Research output: Contribution to journalJournal article

  50. Published

    Electron transport through ribbonlike molecular wires calculated using density-functional theory and Green's function formalism

    Visontai, D., Grace, I. & Lambert, C., 8/01/2010, In : Physical review B. 81, 3, 5 p., 035409.

    Research output: Contribution to journalJournal article

  51. Published

    Identifying Diversity in Nanoscale Electrical Break Junctions

    Martín, S., Grace, I., Bryce, M. R., Wang, C., Jitchat, R., Batsanov, A. S., Higgins, S. J., Lambert, C. & Nichols, R. J., 2010, In : Journal of the American Chemical Society. 132 , 26, p. 9157–9164 8 p.

    Research output: Contribution to journalJournal article

  52. 2009
  53. Published

    A dramatic effect of water on single molecule conductance

    Leary, E., Höbenreich, H., Higgins, S. J., Van Zalinge, H., Haiss, W., Nichols, R. J., Finch, C., Grace, I. & Lambert, C. J., 1/12/2009, In : Materials Research Society Symposium Proceedings. 1154, p. 3-8 6 p.

    Research output: Contribution to journalConference article

  54. Published

    Single-Molecule Solvation-Shell Sensing

    Leary, E., Hobenreich, H., Higgins, S. J., van Zalinge, H., Haiss, W., Nichols, R. J., Finch, C. M., Grace, I., Lambert, C., McGrath, R. & Smerdon, J., 27/02/2009, In : Physical review letters. 102, 8, p. - 4 p., 086801.

    Research output: Contribution to journalJournal article

  55. Published

    Andreev reflection through Fano resonances in molecular wires

    Kormanyos, A., Grace, I. & Lambert, C., 02/2009, In : Physical review B. 79, 7, p. 075119

    Research output: Contribution to journalJournal article

  56. 2008
  57. Published

    Variable contact gap single-molecule conductance determination for a series of conjugated molecular bridges

    Haiss, W., Wang, C., Jitchati, R., Grace, I., Martin, S., Batsanov, A. S., Higgins, S. J., Bryce, M. R., Lambert, C. J., Jensen, P. S. & Nichols, R. J., 17/09/2008, In : Journal of Physics: Condensed Matter. 20, 37, p. - 9 p., 374119.

    Research output: Contribution to journalJournal article

  58. Published

    Synthesis and properties of functionalized 4 nm scale molecular wires with thiolated termini for self-assembly onto metal surfaces

    Wang, C., Bryce, M. R., Gigon, J., Ashwell, G., Grace, I. & Lambert, C. J., 4/07/2008, In : Journal of Organic Chemistry. 73, 13, p. 4810-4818 9 p.

    Research output: Contribution to journalJournal article

  59. Published

    Conformation dependence of molecular conductance: chemistry versus geometry

    Finch, C. M., Sirichantaropass, S., Bailey, S. W., Grace, I. M., Garcia-Suarez, V. M. & Lambert, C. J., 16/01/2008, In : Journal of Physics: Condensed Matter. 20, 2, p. - 5 p., 022203.

    Research output: Contribution to journalJournal article

  60. Published

    Functional molecular wires

    Ashwell, G., Wierzchowiec, P., Phillips, L. J., Collins, C. J., Gigon, J., Robinson, B. J., Finch, C. M., Grace, I., Lambert, C. J., Buckle, P. D., Ford, K., Woode, B. J. & Gentlee, I. R., 2008, In : Physical Chemistry Chemical Physics. 10, 14, p. 1859-1866 8 p.

    Research output: Contribution to journalJournal article

  61. 2007
  62. Published

    Electrical characterisation of 7 nm long conjugated molecular wires: experimental and theoretical studies.

    Wang, C., Batsanov, A. S., Bryce, M. R., Ashwell, G. J., Urasinska, B., Grace, I. & Lambert, C. J., 2007, In : Nanotechnology. 18, 4, p. 044005

    Research output: Contribution to journalJournal article

  63. 2006
  64. Published

    Control of electron transport through Fano resonances in molecular wires.

    Papadopoulos, T. A., Grace, I. M. & Lambert, C. J., 8/11/2006, In : Physical review B. 74, 19, p. 193306

    Research output: Contribution to journalJournal article

  65. Published

    Controlled electron transport through single molecules

    Lambert, C., Grace, I. & Papadopoulos, T., 2006, Nanoscience and Nanotechnology, 2006. ICONN '06. International Conference on. New York: IEEE, p. 635-642 8 p.

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSNConference contribution/Paper

  66. Published

    Precision control of single-molecule electrical junctions.

    Haiss, W., Wang, C., Grace, I., Batsanov, A. S., Schiffrin, D. J., Higgins, S. J., Bryce, M. R., Lambert, C. J. & Nichols, R. J., 2006, In : Nature Materials. 5, p. 995-1002 8 p.

    Research output: Contribution to journalJournal article

  67. Published

    Single-molecule electrical studies on a 7 nm long molecular wire.

    Ashwell, G. J., Urasinska, B., Wang, C., Bryce, M. R., Grace, I. & Lambert, C. J., 2006, In : Chemical Communications. 45, p. 4706-4708 3 p.

    Research output: Contribution to journalJournal article

  68. 2004
  69. Published

    Controlled electron transport in single molecules.

    Grace, I. M., Bailey, S. W. & Lambert, C. J., 2004, Molecular nanowires and other quantum objects. Alexandrov, A. S., Demsar, J. & Yanson, I. K. (eds.). 148 ed. London: Kluwer Academic Publishers, p. 13-21 9 p. (NATO science series., Series II, Mathematics, physics, and chemistry).

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSNChapter

  70. Published

    Electron transport in carbon nanotube shuttles and telescopes.

    Grace, I. M., Bailey, S. W. & Lambert, C., 2004, In : Physical review B. 70, 15, 153405.

    Research output: Contribution to journalJournal article

  71. Published

    Electron transport in carbon nanotubes.

    Lambert, C. J., Athanasopoloulos, S., Grace, I. M. & Bailey, S. W., 2004, Proceedings of the 3rd international CIMTEC conference: computer modelling and simulation of materials. RTNNANO, p. 355

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSNChapter

  72. Published

    Electron transport through single molecular wires

    Grace, I. M., Bailey, S. W., Jefferson, J. & Lambert, C. J., 2004, In : Materials Science . 22, 4, p. 507-512 6 p.

    Research output: Contribution to journalJournal article

  73. Published

    Spin-dependent transport and inter-wall coupling in carbon nanotubes.

    Lambert, C. J., Athanasopoloulos, S., Grace, I. M. & Bailey, S. W., 2004, In : Materials Science . 22, 4, p. 435-444 10 p.

    Research output: Contribution to journalJournal article

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